Transcript TeraGrid Progress and Status

Minority-Serving Institutions
Cyberinfrastructure Institute
Welcome to TeraGrid
Scott Lathrop, TeraGrid Director of
Education, Outreach and Training
[email protected]
University of Chicago and Argonne National Laboratory
January 30, 2006
TeraGrid Objectives
• Deep Science: Enabling Terascale Science
–Make Science More Productive through an
integrated set of very-high capability resources.
• Wide Impact: Empowering communities
–Bring TeraGrid capabilities to the broad science
community.
• Open Infrastructure, Open Partnership
–Provide a coordinated, general purpose, reliable
set of services and resources.
Science and Engineering Impact
Center for Analysis and Prediction of
Storms predicted the occurrence of
storms within 20 miles and 30 minutes
of where and when they actually
happened, and they did it 24 hours in
advance.
Largest-ever simulation of blood
flow through the human arterial
tree. The simulation included 55
arteries and 27 bifurcation,
accounting for every artery in
the human body larger than two
millimeters in diameter.
SPICE explores translocation
of a DNA molecule through the
nano-sized pore of a channel
protein winning the SC HPC
Analytics Challenge award.
Researchers running applications in
nanoelectronics, nanomechanics, and
bionanointerface submit jobs via the
nanoHUB science gateway. NEMO3D
models the largest quantum dot
simulation ever—21 million atoms.
Compact Muon Solenoid
Experiment is looking for the Higgs
Boson particles thought to be
responsible for mass, and to find
supersymmetry, for String theory.
Exploring the mechanism that
controls when a gene triggers
expression of a protein and when
that expression is held back using
Lactose metabolism in E. coli.
Education Impact
NanoHub Harnesses
TeraGrid for Education
Nanohub is used by undergraduate and
graduate students in dozens of courses.
Linked Environments for
Atmospheric Discovery (LEAD)
Howard University and Millersville University are
deploying education materials through LEAD.
SC05-09 Education Programs
Year-long professional development and curriculum
development with educators across the country.
National Computational Science Institute
Community Engagement
• Providing resources for research and education
• Collaborating on Science Gateway community portals
• Offering workshops, seminars, and conferences
• Involving 2- and 4-year colleges and universities
including MSIs and EPSCoR schools
• Engaging non-traditional HPC communities including
humanities, arts, and social sciences
• Connecting new sites and resources
• We need your help to drive the evolution of TeraGrid
June 12-15 – TeraGrid All Hands Meeting
Indianapolis, Indiana
TeraGrid Approach
CTSS Computational
Environment “Service”
Local Value-Added
User Environment
Heterogeneous
Resources at
Autonomous
Resource Provider
Sites
• A single point of contact for user assistance.
• A common allocation process that includes a currency usable across all systems
• A common access service and environment on all platforms, allowing users to readily move from
machine to machine. Learn Once; Run Anywhere.
• Services to assist users in harnessing the right TeraGrid platforms for each part of their
work, ranging from tightly-coupled applications (MPICH-G2) to workflow (Condor-G, GridShell), file staging
(GridFTP/RFT) and remote file I/O (GPFS), supported by common authentication (GSI), and in 2006 Web
services via GT4.
• New capabilities driven by tight feedback loop with users via surveys and hands-on projects.
• Science gateways provide portals with common definitions, interfaces, desktop applications, peer grids.
TeraGrid User Portal
Provides user capabilities in one place:
– Information services:
•Documentation, training,
real time consulting
•Notification (news, MOTDs,
next downtimes, etc.)
•Resources info, calendars,
cross-site run scheduling
•Network information
– Access to data
collections
– Remote vis (interactive)
– Account services
•Allocation requests
•Allocation management & usage
reporting
•Accounts management
– Interactive services
•Job launching
•File transfers
•Linear workflow
•Data mining
TeraGrid Resources
Computational
Resources
ANL/UC
IU
NCSA
ORNL
PSC
Purdue
SDSC
TACC
Itanium 2
(0.5 TF)
IA-32
(0.5 TF)
Itanium2
(0.2 TF)
IA-32
(2.0 TF)
Itanium2
(10.7 TF)
SGI SMP
(7.0 TF)
Dell Xeon
(17.2TF)
IBM p690
(2TF)
Condor Flock
(1.1TF)
IA-32
(0.3 TF)
XT3
(10 TF)
TCS
(6 TF)
Marvel
(0.3 TF)
Hetero
(1.7 TF)
IA-32
(11 TF)
Itanium2
(4.4 TF)
Power4+
(15.6 TF)
Blue Gene
(5.7 TF)
IA-32
(6.3 TF)
Over 100 TeraFlops in Computing Resources
Online Storage
32 TB
1140 TB
Mass Storage
1.2 PB
5 PB
Data
Collections
5 Col.
>3.7 TB
URL/DB/
GridFTP
> 30 Col.
URL/SRB/DB/
GridFTP
Instruments
Proteomics
X-ray
Cryst.
Visualization
Resources
RI: Remote Interact
RB: Remote Batch
RC: RI/Collab
20 TB
RI, RC, RB
IA-32, 96
GeForce
6600GT
1 TB
300 TB
26 TB
1400 TB
50 TB
2.4 PB
1.3 PB
6 PB
2 PB
4 Col.
100GB-6TB
SRB/Portal/
OPeNDAP
>70 Col.
>1 PB
GFS/SRB/
DB/GridFTP
4 Col.
2.35 TB
SRB/Web
Services/
URL
RB
IA-32, 48
Nodes
RB
RI, RC, RB
UltraSPARC
IV, 512GB
SMP, 16 gfx
cards
SNS and
HFIR
Facilities
RB
SGI Prism, 32
graphics
pipes; IA-32
RI, RB
IA-32 +
Quadro4
980
XGL
Science Gateways – Portals Tailored to
Science Community Needs
• Increasing investment by
communities to address
their cyberinfrastructure
needs
TeraGrid capabilities
Resources
Users – from expert to K-12
Software stacks, policies
– Web-based Portals
– Application programs running
on users' machines accessing
services in TeraGrid
– Coordinated access points
enabling users to move
seamlessly between TeraGrid
and other grids.
Build standard portals to meet the domain
Grid Resources
Workflow Composer
requirements of the biology communities
Dev elop f ederated databases to be
replicated and shared across TeraGrid
OGCE
OGCEPortlets
Portlets
with
with Containe
Containerr
Serv
Service
ice
API
API
Apache
Apache Jetspeed
Jetspeed
Internal
Internal Services
Services
Grid
Grid
Serv
Service
ice
Stubs
Stubs
Local
Local
Portal
Portal
Serv
Services
ices
Remote
Remote
Content
Content
Serv
Services
ices
Java
CoG Kit
• Three common forms:
Technical Approach
OGCE Science Portal
–
–
–
–
Grid
Protocols
Grid
Serv ice
s
Open Source Tools
HTTP
Remote
Content
Serv ers
Current Science Gateways
Science Gateway Prototype
Discipline
Linked Environments for Atmospheric
Discovery (LEAD)
Atmospheric
National Virtual Observatory (NVO)
Astronomy
Network for Computational Nanotechnology
(NCN) and “nanoHUB”
Nanotechnology
Open Life Sciences Gateway
Biomedicine and Biology
Biology and Biomedical Science Gateway
Biomedicine and Biology
Neutron Science Instrument Gateway
Physics
Grid Analysis Environment
High-Energy Physics
Transportation System Decision Support
Homeland Security
Groundwater/Flood Modeling
Environmental
Science Grid [GrPhyN/ivDGL/Grid3]
Multiple
Gateways Under the Hood: LEAD,
Workflows and Web Services
•Providing tools that are needed to make accurate
predictions of tornados and hurricanes
•Data exploration and Grid workflow
Data Collections
Instruments &
Sensors
Science/Education Portal
Data Collections
Colleagues
TeraGrid
Resource
Providers
Indiana University
National Center for
Supercomputing Applications
Oak Ridge National Laboratory
Pittsburgh Supercomputing Center
Purdue University
San Diego Supercomputer Center
Texas Advanced Computing Center
The University of Chicago /
Argonne National Laboratory
Benefits to MSICI2
• comprehensive cyberinfrastructure to
enable discovery in science and
engineering
• access to advanced computing
systems, vast data collections, and
remote instruments and sensor arrays
• education and mentoring programs to
connect and broaden scientific
communities
RequestingTeraGrid Allocations
CS/Eng
7%
ENG
12%
GEO
4%
Social
Science
s Chem
21%
Physics
15%
Biology
26%
Math
1%
Astronomy
9%
Materials
5%
The Development
Allocations Committee
(DAC) accepts requests to
develop applications, to
experiment with TeraGrid
platforms, or to use
TeraGrid systems as part of
classroom instruction.
The MSICI2 may apply to
DAC for a community
allocation to simplify access
to TeraGrid resources.
Participate in Education Programs
• Professional development for and with faculty and teachers
• Development and dissemination of resources including
software, curricular materials, and lesson plans
• Mentoring of students in science, technology, engineering, math
• SC05-09 Education Programs
– TeraGrid Team is promoting a multi-year Education Program
– Provide continuity and sustained integration of computational
science education within undergraduate education
• Partnerships to leverage successful programs including:
– National Computational Science Institute
– Computational Science Education Reference Desk - NSDL
– Engaging People in Cyberinfrastructure
– Minority Serving Institution Network
– Open Science Grid
– Global Grid Forum
SC05-09 Education Programs
• Year-long, multi-year Education Programs for sustained
integration of HPC and computational science into
undergraduate science, technology, engineering and
mathematics (STEM) classrooms
• Faculty, administrators, and students across STEM fields with
emphasis on 2-and4-year MSIs and EPSCoR schools
• Secondary teachers collaborating with faculty
• Hands-on experiences for the faculty and students at SC
• Week-long regionally distributed summer workshops for
professional development and curriculum development
• Institutional visits to participating institutions throughout the year
to support teaching, learning, and sustained change
• National dissemination via NSDL, publications, textbooks, and
presentations
http://development.shodor.org/~dtanase/ncsi2/map8.php
Training Opportunities for You
• Hands-on training on topics from introductory
to advanced applications of grid computing.
• Training venues include live workshops,
Access Grid sessions, and on-line tutorials
• Coordination of training opportunities across
TeraGrid and other national programs
– NSF Middleware Initiative (NMI)
– National Microbial Pathogen Data Resource
(NMPDR)
– Cyberinfrastructure Partnerships (CIP)
Connecting to TeraGrid
• Procedures for adding sites
to TeraGrid are being
developed
• Sites run Coordinated
TeraGrid Software and
Services (CTSS) for
interoperability
• Aspects to Consider
–Providing community
resources
–Support for users
–Allocations of resources
–Network capacity
For More Information
Scott Lathrop
[email protected]
www.teragrid.org
www.eotepic.org
www.computationalscience.org
sc06.supercomp.org
www.opensciencegrid.org
Gateways Under the Hood: Open Life
Science Gateway and Web Services
• OLSG integrates four components:
– Tools from National Microbial Pathogen Data Resource
(http://www.nmpdr.org) and TheSeed
(http://theseed.uchicago.edu/FIG/index.cgi)
– Open bioinformatics tools and data
– Web Services
– TeraGrid resources
• Providing:
– Web-based access for account administration, trivial access to
resources, and documentation.
– Web service based access to tools, including:
• Taverna, Kepler, other workflow tools
• Microsoft Development Environment
• Open Source Web Service Toolkits:
– SOAP::Lite [perl], ZSI [python], Apache Axis [c/java]
• Bioinformatics toolkits such as BioPerl and BioPython
– Data access
• TeraGrid presentation requested at for February NIH meeting
• http://lsgw.mcs.anl.gov/